CAS RN: 24008-63-7

(S)-MANDELAMIDE

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  • Product code: starshine_CAS24008-63-7
  • Purity/Analytical Methods: >99.0%
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24008-63-7 / 2-hydroxy-2-phenylacetamide

Standard CAS: 24008-63-7 Multi CAS: No

Basic Information

CAS
24008-63-7
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
SMILES
C1=CC=C(C=C1)C(C(=O)N)O
InChI
InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)/t7-/m0/s1
InChIKey
MAGPZHKLEZXLNU-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.6
TPSA
63.32

LogP / Solubility

WLOGP
0.21
MLOGP
0.17
Consensus LogP
0.13
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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